6-[2-[(4-methylpiperazin-1-yl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[(4-methylpiperazin-1-yl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-(1-methylpiperidin-3-yl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-(1-methylpiperidin-4-yl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;bis(N-[[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrol-2-yl]methyl]-2-naphthalen-1-ylethanamine)

C146H154N42 — CID 158121081

About 6-[2-[(4-methylpiperazin-1-yl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[(4-methylpiperazin-1-yl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-(1-methylpiperidin-3-yl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-(1-methylpiperidin-4-yl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;bis(N-[[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrol-2-yl]methyl]-2-naphthalen-1-ylethanamine)

6-[2-[(4-methylpiperazin-1-yl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[(4-methylpiperazin-1-yl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-(1-methylpiperidin-3-yl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-(1-methylpiperidin-4-yl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;bis(N-[[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrol-2-yl]methyl]-2-naphthalen-1-ylethanamine) (PubChem CID 158121081) has the molecular formula C146H154N42 and a molecular weight of 2497.13 g/mol. Its IUPAC name is 6-[2-[(4-methylpiperazin-1-yl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[(4-methylpiperazin-1-yl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-(1-methylpiperidin-3-yl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-(1-methylpiperidin-4-yl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;bis(N-[[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrol-2-yl]methyl]-2-naphthalen-1-ylethanamine).

Molecular Properties

• Compound Name: 6-[2-[(4-methylpiperazin-1-yl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[(4-methylpiperazin-1-yl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-(1-methylpiperidin-3-yl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-(1-methylpiperidin-4-yl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;bis(N-[[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrol-2-yl]methyl]-2-naphthalen-1-ylethanamine)
• PubChem CID: 158121081
• Molecular Formula: C146H154N42
• Molecular Weight: 2497.13 g/mol
• Exact Mass: 2495.33
• IUPAC Name: 6-[2-[(4-methylpiperazin-1-yl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[(4-methylpiperazin-1-yl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-(1-methylpiperidin-3-yl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-(1-methylpiperidin-4-yl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;bis(N-[[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrol-2-yl]methyl]-2-naphthalen-1-ylethanamine)
• SMILES: Cc1cccc(-c2[nH]c(CCC3CCCN(C)C3)nc2-c2ccn3ncnc3c2)n1.Cc1cccc(-c2[nH]c(CCC3CCN(C)CC3)nc2-c2ccn3ncnc3c2)n1.Cc1cccc(-c2[nH]c(CN3CCN(C)CC3)nc2-c2ccc3ncnn3c2)n1.Cc1cccc(-c2[nH]c(CN3CCN(C)CC3)nc2-c2ccn3ncnc3c2)n1.Cc1cccc(-c2cc(CNCCc3cccc4ccccc34)[nH]c2-c2ccc3ncnn3c2)n1.Cc1cccc(-c2cc(CNCCc3cccc4ccccc34)[nH]c2-c2ccc3ncnn3c2)n1
• InChI: InChI=1S/2C29H26N6.2C23H27N7.2C21H24N8/c2*1-20-6-4-11-27(33-20)26-16-24(34-29(26)23-12-13-28-31-19-32-35(28)18-23)17-30-15-14-22-9-5-8-21-7-2-3-10-25(21)22;1-16-5-3-7-19(26-16)23-22(18-10-12-30-21(13-18)24-15-25-30)27-20(28-23)9-8-17-6-4-11-29(2)14-17;1-16-4-3-5-19(26-16)23-22(18-10-13-30-21(14-18)24-15-25-30)27-20(28-23)7-6-17-8-11-29(2)12-9-17;1-15-4-3-5-17(24-15)21-20(16-6-7-29-19(12-16)22-14-23-29)25-18(26-21)13-28-10-8-27(2)9-11-28;1-15-4-3-5-17(24-15)21-20(16-6-7-19-22-14-23-29(19)12-16)25-18(26-21)13-28-10-8-27(2)9-11-28/h2*2-13,16,18-19,30,34H,14-15,17H2,1H3;3,5,7,10,12-13,15,17H,4,6,8-9,11,14H2,1-2H3,(H,27,28);3-5,10,13-15,17H,6-9,11-12H2,1-2H3,(H,27,28);2*3-7,12,14H,8-11,13H2,1-2H3,(H,25,26)
• InChIKey: FRPPWCPINLILDT-UHFFFAOYSA-N
• XLogP: 23.16
• TPSA: 448.28 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 32
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2497.13
LogP ≤ 5	23.16
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(4-methylpiperazin-1-yl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[(4-methylpiperazin-1-yl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-(1-methylpiperidin-3-yl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-(1-methylpiperidin-4-yl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;bis(N-[[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrol-2-yl]methyl]-2-naphthalen-1-ylethanamine)?

The IUPAC name of 6-[2-[(4-methylpiperazin-1-yl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[(4-methylpiperazin-1-yl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-(1-methylpiperidin-3-yl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-(1-methylpiperidin-4-yl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;bis(N-[[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrol-2-yl]methyl]-2-naphthalen-1-ylethanamine) (CID 158121081) is 6-[2-[(4-methylpiperazin-1-yl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[(4-methylpiperazin-1-yl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-(1-methylpiperidin-3-yl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-(1-methylpiperidin-4-yl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;bis(N-[[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrol-2-yl]methyl]-2-naphthalen-1-ylethanamine).

What is the SMILES notation for 6-[2-[(4-methylpiperazin-1-yl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[(4-methylpiperazin-1-yl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-(1-methylpiperidin-3-yl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-(1-methylpiperidin-4-yl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;bis(N-[[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrol-2-yl]methyl]-2-naphthalen-1-ylethanamine)?

The canonical SMILES for 6-[2-[(4-methylpiperazin-1-yl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[(4-methylpiperazin-1-yl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-(1-methylpiperidin-3-yl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-(1-methylpiperidin-4-yl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;bis(N-[[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrol-2-yl]methyl]-2-naphthalen-1-ylethanamine) is Cc1cccc(-c2[nH]c(CCC3CCCN(C)C3)nc2-c2ccn3ncnc3c2)n1.Cc1cccc(-c2[nH]c(CCC3CCN(C)CC3)nc2-c2ccn3ncnc3c2)n1.Cc1cccc(-c2[nH]c(CN3CCN(C)CC3)nc2-c2ccc3ncnn3c2)n1.Cc1cccc(-c2[nH]c(CN3CCN(C)CC3)nc2-c2ccn3ncnc3c2)n1.Cc1cccc(-c2cc(CNCCc3cccc4ccccc34)[nH]c2-c2ccc3ncnn3c2)n1.Cc1cccc(-c2cc(CNCCc3cccc4ccccc34)[nH]c2-c2ccc3ncnn3c2)n1.

What is the InChIKey of 6-[2-[(4-methylpiperazin-1-yl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[(4-methylpiperazin-1-yl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-(1-methylpiperidin-3-yl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-(1-methylpiperidin-4-yl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;bis(N-[[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrol-2-yl]methyl]-2-naphthalen-1-ylethanamine)?

The InChIKey is FRPPWCPINLILDT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H26N6.2C23H27N7.2C21H24N8/c2*1-20-6-4-11-27(33-20)26-16-24(34-29(26)23-12-13-28-31-19-32-35(28)18-23)17-30-15-14-22-9-5-8-21-7-2-3-10-25(21)22;1-16-5-3-7-19(26-16)23-22(18-10-12-30-21(13-18)24-15-25-30)27-20(28-23)9-8-17-6-4-11-29(2)14-17;1-16-4-3-5-19(26-16)23-22(18-10-13-30-21(14-18)24-15-25-30)27-20(28-23)7-6-17-8-11-29(2)12-9-17;1-15-4-3-5-17(24-15)21-20(16-6-7-29-19(12-16)22-14-23-29)25-18(26-21)13-28-10-8-27(2)9-11-28;1-15-4-3-5-17(24-15)21-20(16-6-7-19-22-14-23-29(19)12-16)25-18(26-21)13-28-10-8-27(2)9-11-28/h2*2-13,16,18-19,30,34H,14-15,17H2,1H3;3,5,7,10,12-13,15,17H,4,6,8-9,11,14H2,1-2H3,(H,27,28);3-5,10,13-15,17H,6-9,11-12H2,1-2H3,(H,27,28);2*3-7,12,14H,8-11,13H2,1-2H3,(H,25,26).

What are the key properties of 6-[2-[(4-methylpiperazin-1-yl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[(4-methylpiperazin-1-yl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-(1-methylpiperidin-3-yl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-(1-methylpiperidin-4-yl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;bis(N-[[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrol-2-yl]methyl]-2-naphthalen-1-ylethanamine)?

6-[2-[(4-methylpiperazin-1-yl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[(4-methylpiperazin-1-yl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-(1-methylpiperidin-3-yl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-(1-methylpiperidin-4-yl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;bis(N-[[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrol-2-yl]methyl]-2-naphthalen-1-ylethanamine) has a molecular weight of 2497.13 g/mol, XLogP of 23.16, 32 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[(4-methylpiperazin-1-yl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[(4-methylpiperazin-1-yl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-(1-methylpiperidin-3-yl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;7-[2-[2-(1-methylpiperidin-4-yl)ethyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine;bis(N-[[4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-pyrrol-2-yl]methyl]-2-naphthalen-1-ylethanamine) is sourced from PubChem (CID 158121081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).